2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide

C14H23N3O3S — CID 43587581

IUPAC2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C14H23N3O3S/c1-6-17(9-14(18)16(4)5)21(19,20)12-7-10(2)11(3)13(15)8-12/h7-8H,6,9,15H2,1-5H3
InChIKeyRSYPCANIANFFLA-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.98
Rot. Bonds5

About 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide

2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 43587581) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
PubChem CID43587581
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C14H23N3O3S/c1-6-17(9-14(18)16(4)5)21(19,20)12-7-10(2)11(3)13(15)8-12/h7-8H,6,9,15H2,1-5H3
InChIKeyRSYPCANIANFFLA-UHFFFAOYSA-N
XLogP0.98
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114656
3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
CID 43268301
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106919187
3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587373
2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101040
3-amino-N,N-bis(cyanomethyl)-4,5-dimethylbenzenesulfonamide
CID 29277771
3-amino-5-chloro-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112529
2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 65020746
2-[[3-(aminomethyl)-4-fluorophenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 63288245
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587561
4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43588539
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587604

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide (CID 43587581) is 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)S(=O)(=O)c1cc(C)c(C)c(N)c1.
What is the InChIKey of 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is RSYPCANIANFFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-6-17(9-14(18)16(4)5)21(19,20)12-7-10(2)11(3)13(15)8-12/h7-8H,6,9,15H2,1-5H3.
What are the key properties of 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 313.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43587581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).